Lixin Sun
Appearances
DateApril 15, 2021Direct ab initio molecular dynamics of slow catalytic reactions can be prohibitive due to the poor scaling and long simulation time needed to accumulate sufficient statistics…Presenter
Speakers
HarvardGraduate Student, Harvard UniversityPh.D. Candidate in Chemistry, Harvard University
DateApril 15, 2021Interfacial restructuring plays a crucial role in materials science and heterogeneous catalysis. In particular, bimetallic surfaces often adopt very different composition and morphology compared to the bulk…Presenter
Ph.D. Candidate in Chemistry, Harvard University
DateApril 5, 2021Machine Learning Force-Fields promise to move past the dilemma of obtaining interatomic force-fields that are both highly accurate while also computationally efficient…Presenter
Harvard
DateAugust 23, 2021Molecular dynamics (MD) can be a powerful tool to explore the free energy landscape for catalytic reactions on heterogeneous catalysts and the dynamic restructuring of such complex interfaces…- DateAugust 23, 2021Molecular dynamics (MD) can be a powerful tool to explore the free energy landscape for catalytic reactions on heterogeneous catalysts and the dynamic restructuring of such complex interfaces…
